N-propyl-4-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide

Systemtic Name: N-propyl-4-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Openeye Name: N-propyl-4-[(3S)-3-(2-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide CAS Name: 4-[(3S)-3-[oxo-(2-pyridinylmethylamino)methyl]-1-piperidin-1-iumyl]-N-propyl-1-piperidinecarboxamide IUPAC Name: N-propyl-4-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Traditional Name: N-propyl-4-[(3S)-3-(2-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carboxamide Formula: C21H34N5O2+ MolecularWeight: 388.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CCCNC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H33N5O2/c1-2-10-23-21(28)25-13-8-19(9-14-25)26-12-5-6-17(16-26)20(27)24-15-18-7-3-4-11-22-18/h3-4,7,11,17,19H,2,5-6,8-10,12-16H2,1H3,(H,23,28)(H,24,27)/p+1/t17-/m0/s1